Molecule

ID:112434

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆
Molecular Mass
218.37764
Exact Mass
218.20345083
Charge
0
InChI
InChI=1S/C16H26/c1-5-8-13-16(4,7-3)15-11-9-14(6-2)10-12-15/h9-12H,5-8,13H2,1-4H3
InChIKey
QOFVQIXLVDEBJV-UHFFFAOYSA-N
Canonic Smiles
CCCCC(c1ccc(cc1)CC)(CC)C
Isomeric Smiles
CCCCC(C)(CC)c1ccc(CC)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.2545667
LogD (pH = 7.4)
6.2545667
Log P
6.2545667
Molar Refractivity
72.7701
Polarizability
28.696774
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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